#------------------------------------------------------------------------------ #$Date: 2017-08-15 08:55:46 +0300 (Tue, 15 Aug 2017) $ #$Revision: 199770 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020854.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2020854 _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 4.4659 _cell_length_b 9.8994 _cell_length_c 48.0728 _exptl_crystal_F_000 936.00 _reflns_d_resolution_high 0.8339 _cod_data_source_file fm3052IIsup3.hkl _cod_data_source_block II _shelx_title ' s92_a.res in P2(1)2(1)2(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.36 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y+1/2, -z+1/2' 'x+1/2, -y+1/2, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 2 0 0 3389.84 3978.66 238.12 o 4 0 0 35.71 6.71 17.89 o 1 1 0 3466.33 4152.44 162.80 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120.14 33.99 o -3 5 2 827.30 806.57 47.92 o -2 5 2 1153.26 1242.39 43.48 o -1 5 2 188.31 196.62 42.72 o 2 5 2 1212.28 1195.27 56.60 o 3 5 2 864.29 827.95 41.40 o 4 5 2 28.65 209.81 55.26 o -4 6 2 45.32 154.83 26.92 o -3 6 2 197.03 261.83 36.38 o -2 6 2 354.22 340.61 44.33 o -1 6 2 1544.15 1610.70 84.42 o 0 6 2 404.19 469.31 35.75 o 1 6 2 1463.78 1545.61 53.54 o 2 6 2 335.41 403.28 49.77 o 3 6 2 175.92 193.10 24.60 o 4 6 2 27.60 124.71 35.04 o -4 7 2 199.70 301.24 33.24 o -3 7 2 173.95 217.46 35.55 o -2 7 2 854.29 1040.63 71.35 o -1 7 2 1455.34 1503.33 53.50 o 0 7 2 281.82 385.25 31.73 o 1 7 2 1455.52 1617.38 63.34 o 2 7 2 797.95 775.57 49.42 o 3 7 2 165.43 168.35 24.12 o 4 7 2 167.55 266.46 30.32 o -3 8 2 86.35 158.62 28.95 o -2 8 2 234.80 564.17 58.48 o -1 8 2 175.94 131.28 45.92 o 0 8 2 322.51 411.74 40.76 o 1 8 2 189.09 274.59 38.23 o 2 8 2 214.96 178.67 49.70 o 3 8 2 82.31 219.94 48.39 o -3 9 2 71.62 82.22 20.96 o -2 9 2 130.88 259.37 35.55 o -1 9 2 535.10 596.94 35.49 o 0 9 2 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